Poly[diaqua­(μ3-8-oxidoquinoline-5-sulfonato-κ4 N,O 8:O 5:O 8)nickel(II)]

Ying Wang; Li Wang; Jianing Xu; Guangshan Zhu

doi:10.1107/S1600536809026105

. 2009 Jul 11;65(Pt 8):m902. doi: 10.1107/S1600536809026105

Poly[diaqua(μ₃-8-oxidoquinoline-5-sulfonato-κ⁴ N,O ⁸:O ⁵:O ⁸)nickel(II)]

Ying Wang ^a, Li Wang ^a, Jianing Xu ^a,^*, Guangshan Zhu ^a,^‡

PMCID: PMC2977084 PMID: 21583362

Abstract

In title compound, [Ni(C₉H₅NO₄S)(H₂O)₂]_n, the Ni^II atom is coordinated by one N atom and two bridging O atoms from two 8-oxidoquinoline-5-sulfonate ligands, one sulfonate O atom from a third ligand, and two water molecules in a distorted octahedral geometry. The two Ni^II atoms are linked to each other through the bridging O atoms, forming a dimer. Adjacent dimers are connected through the coordination of the sulfonate O atom into a two-dimensional coordination network parallel to (010). Hydrogen bonds between the coordinated water molecules and the uncoordinated O atoms of the sulfonate groups result in the construction of a three-dimensional supramolecular structure.

Related literature

For related structures, see: Ammor et al. (1992 ▶); Petit et al. (1993a ▶,b ▶); Rao et al. (2003 ▶); Wu et al. (2008 ▶); Xie et al. (1992 ▶).

Experimental

Crystal data

[Ni(C₉H₅NO₄S)(H₂O)₂]
M _r = 317.94
Orthorhombic,
a = 9.2067 (8) Å
b = 15.0504 (13) Å
c = 16.1599 (14) Å
V = 2239.2 (3) Å³
Z = 8
Mo Kα radiation
μ = 1.94 mm⁻¹
T = 293 K
0.28 × 0.22 × 0.18 mm

Data collection

Bruker SMART APEX CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T _min = 0.601, T _max = 0.701
11973 measured reflections
2198 independent reflections
1874 reflections with I > 2σ(I)
R _int = 0.037

Refinement

R[F ² > 2σ(F ²)] = 0.031
wR(F ²) = 0.079
S = 1.02
2198 reflections
171 parameters
4 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.64 e Å⁻³
Δρ_min = −0.27 e Å⁻³

Data collection: SMART (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶) and DIAMOND (Brandenburg, 1999 ▶); software used to prepare material for publication: SHELXTL.

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809026105/hy2203sup1.cif

e-65-0m902-sup1.cif^{(15.5KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809026105/hy2203Isup2.hkl

e-65-0m902-Isup2.hkl^{(110.3KB, hkl)}

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Table 1. Selected bond lengths (Å).

Ni1—O1ⁱ	2.0153 (17)
Ni1—O6W	2.0285 (19)
Ni1—O1	2.0443 (16)
Ni1—N1	2.052 (2)
Ni1—O5W	2.0936 (19)
Ni1—O2ⁱⁱ	2.1437 (17)

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Symmetry codes: (i) Inline graphic ; (ii) .

Table 2. Hydrogen-bond geometry (Å, °).

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O5W—H5WA⋯O3ⁱⁱⁱ	0.82	2.00	2.812 (2)	171
O5W—H5WB⋯O4^iv	0.80 (2)	2.07 (2)	2.866 (3)	170 (2)
O6W—H6WA⋯O3^iv	0.82	1.93	2.687 (2)	153
O6W—H6WB⋯O4^v	0.78 (2)	2.04 (2)	2.787 (3)	159 (3)

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Symmetry codes: (iii) Inline graphic ; (iv) ; (v) .

Acknowledgments

This work was supported by the National Natural Science Foundation of China (grant No. 20571030).

supplementary crystallographic information

Comment

The metal complexes with organic ligands containing sulfonate group still remain largely unexplored. We have been investigating the formation of novel transition metal coordination polymers employing hydrothermal methods. During the course of the investigation employing 8-hydroxylquinoline-5-sulfonic acids (H₂QS) as organic ligand, which has received a little attention (Ammor et al., 1992; Petit et al., 1993a,b; Rao et al., 2003; Wu et al., 2008; Xie et al., 1992), and nickel(II) as metal center, we isolated a new two-dimensional coordination polymer.

As shown in Fig. 1, the asymmetric unit of the title compound contains one Ni^II atom, one QS ligand, and two water molecules. The Ni^II atom adopts a distorted octahedral coordination geometry, defined by one N atom and two bridging olate O atoms from two QS ligands, one sulfonate O atom from a third ligand, and two water molecules (Table 1). Two crystallographically equivalent Ni atoms [Ni1 and Ni1ⁱ, symmetry code: (i) -x, -y, 1 - z] link to each other through two bridging atoms O1 and O1ⁱ, forming an edge-sharing dimer. These dimers are connected by the sulfonate groups of the QS ligands into an infinite two-dimensional coordination network with a (4,4) topology along the [0 1 0] direction, as shown in Fig. 2. These networks are further connected by hydrogen bonds between the coordinated water molecules and the uncoordinated O atoms of the sulfonate groups into a three-dimensional supramolecular structure (Fig. 3 and Table 2).

Experimental

A mixture of Ni(NO₃)₂.4H₂O (0.250 g, 1 mmol) and H₂QS (0.024 g, 0.1 mmol) was dissolved in 6 ml H₂O with stirring about half an hour and pH = 6. The mixture was transferred to a 15 ml Teflon-lined stainless-steel hydrothermal autoclave and heated at 413 K for two weeks under autogenous pressure. The green block crystals were filtered off, washed with ethanol and dried at room temperature.